3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide

C20H28N6O3 — CID 170073507

IUPAC3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
SMILESCOCc1cc(C(=O)Nc2cc(C3C[C@@H]4C(C(=O)NC(C)C)[C@@H]4C3)[nH]n2)n(C)n1
InChIInChI=1S/C20H28N6O3/c1-10(2)21-20(28)18-13-5-11(6-14(13)18)15-8-17(24-23-15)22-19(27)16-7-12(9-29-4)25-26(16)3/h7-8,10-11,13-14,18H,5-6,9H2,1-4H3,(H,21,28)(H2,22,23,24,27)/t11?,13-,14+,18?
InChIKeyCYQWTXNRKBQAIR-IYBREJCASA-N
MW400.48 g/mol
LogP1.81
Rot. Bonds7

About 3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide

3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide (PubChem CID 170073507) has the molecular formula C20H28N6O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
PubChem CID170073507
Molecular FormulaC20H28N6O3
Molecular Weight400.48 g/mol
Exact Mass400.22
IUPAC Name3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
SMILESCOCc1cc(C(=O)Nc2cc(C3C[C@@H]4C(C(=O)NC(C)C)[C@@H]4C3)[nH]n2)n(C)n1
InChIInChI=1S/C20H28N6O3/c1-10(2)21-20(28)18-13-5-11(6-14(13)18)15-8-17(24-23-15)22-19(27)16-7-12(9-29-4)25-26(16)3/h7-8,10-11,13-14,18H,5-6,9H2,1-4H3,(H,21,28)(H2,22,23,24,27)/t11?,13-,14+,18?
InChIKeyCYQWTXNRKBQAIR-IYBREJCASA-N
XLogP1.81
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide with MolForge

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Related Compounds

Tegtociclib
CID 154616422
[(1R,3S)-3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-methyl-N-propan-2-ylcarbamate
CID 168284913
US11014911, Example 457
CID 155040885
US11718603, Example 10
CID 168489810
US11718603, Example 9
CID 154616751
US11014911, Example 103
CID 154664712
US11014911, Example 487
CID 154616440
US11718603, Example 8
CID 154616496
US11718603, Example 14
CID 154616503
US11014911, Example 104
CID 155040868
US11014911, Example 105
CID 155040874
US11014911, Example 111
CID 155041018

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
The IUPAC name of 3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide (CID 170073507) is 3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide is COCc1cc(C(=O)Nc2cc(C3C[C@@H]4C(C(=O)NC(C)C)[C@@H]4C3)[nH]n2)n(C)n1.
What is the InChIKey of 3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
The InChIKey is CYQWTXNRKBQAIR-IYBREJCASA-N. The full InChI is InChI=1S/C20H28N6O3/c1-10(2)21-20(28)18-13-5-11(6-14(13)18)15-8-17(24-23-15)22-19(27)16-7-12(9-29-4)25-26(16)3/h7-8,10-11,13-14,18H,5-6,9H2,1-4H3,(H,21,28)(H2,22,23,24,27)/t11?,13-,14+,18?.
What are the key properties of 3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 170073507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).